2-(4-Bromophenyl)-2-oxoethyl 2-aminobenzoate
TL;DR: 2-(4-Bromophenyl)-2-oxoethyl 2-aminobenzoate (CAS 130627-15-5) is a chemical compound with molecular formula C15H12BrNO3 and molecular weight 333.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-bromophenyl)-2-oxoethyl] 2-aminobenzoate
Also Known As: 4'-Bromophenacyl anthranilate, 2-(4-Bromophenyl)-2-oxoethyl 2-aminobenzoate, [2-(4-bromophenyl)-2-oxoethyl] 2-aminobenzoate, 2-(4-Bromophenyl)-2-oxoethyl 2-aminobenzoate #, 2-[(2-Aminobenzoyl)oxy]-1-(4-bromophenyl)ethanone
| Molecular Formula | C15H12BrNO3 |
|---|---|
| Molecular Weight | 333.00 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.00006 |
| Heavy Atoms | 20 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 130627-15-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br)N |
| InChIKey | QDHTYFBGDMVYGU-UHFFFAOYSA-N |
Product Overview
2-(4-Bromophenyl)-2-oxoethyl 2-aminobenzoate (CAS 130627-15-5), with molecular formula C15H12BrNO3 and molecular weight 333.00 g/mol. IUPAC: [2-(4-bromophenyl)-2-oxoethyl] 2-aminobenzoate.
Chemical Property Profile of 2-(4-Bromophenyl)-2-oxoethyl 2-aminobenzoate
Property Insights of 2-(4-Bromophenyl)-2-oxoethyl 2-aminobenzoate
The XLogP value of 3.7 indicates that 2-(4-Bromophenyl)-2-oxoethyl 2-aminobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Bromophenyl)-2-oxoethyl 2-aminobenzoate. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-2-oxoethyl 2-aminobenzoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-Bromophenyl)-2-oxoethyl 2-aminobenzoate?
The CAS number of 2-(4-Bromophenyl)-2-oxoethyl 2-aminobenzoate is 130627-15-5.
What is the molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 2-aminobenzoate?
The molecular formula of 2-(4-Bromophenyl)-2-oxoethyl 2-aminobenzoate is C15H12BrNO3.
What is the molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 2-aminobenzoate?
The molecular weight of 2-(4-Bromophenyl)-2-oxoethyl 2-aminobenzoate is 333.00 g/mol.
Where can I buy 2-(4-Bromophenyl)-2-oxoethyl 2-aminobenzoate?
You can request a quote for 2-(4-Bromophenyl)-2-oxoethyl 2-aminobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromophenyl)-2-oxoethyl 2-aminobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-2-oxoethyl 2-aminobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.